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Version 2019.3
2019-06-14
P
a
ul Bauer
Version 2019
.
3
commit
|
commitdiff
|
tree
2019-06-14
Paul Ba
u
e
r
Merge branch release-2018 i
n
to
rel
e
a
se-2019
commit
|
commitdiff
|
tree
2019-06-12
Pau
l
B
auer
Fix qsort not being defined
on Ap
p
le
Clang
commit
|
commitdiff
|
tree
2019-06-11
Paul Bauer
Fix residu
e
and molecul
e
i
n
d
exing in selections
commit
|
commitdiff
|
tree
2019-06-11
P
a
u
l Bauer
Extend informa
t
ion for gmxcpp syntax error
.
commit
|
commitdiff
|
tree
2019-06-11
Paul Bauer
Ad
d
c
h
eck for
t
oo ma
n
y grid
p
o
ints
i
n hbond
commit
|
commitdiff
|
tree
2019-05-29
Pau
l
Bauer
Version 2018
.
7
commit
|
commitdiff
|
tree
2019-05-27
Paul Bauer
Add more info for
w
rong line endings
commit
|
commitdiff
|
tree
2019-05-24
Paul
B
auer
Fix PQR
formatting
commit
|
commitdiff
|
tree
2019-05-24
P
au
l
Ba
u
er
Fi
x
m
embrane embedding
commit
|
commitdiff
|
tree
2019-05-23
Paul Bauer
Add check for al
l
ocatin
g
too many
i
nteractions
commit
|
commitdiff
|
tree
2019-05-13
Paul Baue
r
P
r
epare for
2
018
.
7
commit
|
commitdiff
|
tree
2019-05-02
Paul Bauer
Fix F
P
E in
d
o_st
e
ep
commit
|
commitdiff
|
tree
2019-04-16
Paul Bauer
Prepare for ve
r
s
i
on 2019
.
3
commit
|
commitdiff
|
tree
2019-04-16
Paul
B
auer
Versi
o
n 2019
.
2
commit
|
commitdiff
|
tree
2019-04-16
Paul Bauer
Fix off-by-one error in
gmx clu
s
ter
commit
|
commitdiff
|
tree
2019-04-04
P
aul Bau
e
r
F
i
x segmentation fault with simulated
a
nneal
i
ng
commit
|
commitdiff
|
tree
2019-03-12
Pau
l
Bauer
Fix formatting
erro
r
in user
guide referen
c
e
commit
|
commitdiff
|
tree
2019-03-06
Paul
B
auer
Add err
o
r
w
hen m
a
nual cannot be built
commit
|
commitdiff
|
tree
2019-02-20
Paul Bauer
V
e
rsion 2018
.
6
commit
|
commitdiff
|
tree
2019-02-20
Pau
l
Bauer
Fix re
l
ease notes
forma
t
ting
commit
|
commitdiff
|
tree
2019-02-19
Paul Ba
u
er
Prepare for
2019
.
2
commit
|
commitdiff
|
tree
2019-02-19
Paul
B
auer
Change icc
-
18 to
n
o-hwloc
commit
|
commitdiff
|
tree
2019-02-15
Paul Bauer
V
e
rsion 2019
.
1
commit
|
commitdiff
|
tree
2019-02-15
Paul Bauer
Fi
x
tu
n
e_pme
commit
|
commitdiff
|
tree
2019-02-13
P
a
u
l
Baue
r
Move simula
t
ed temper
i
ng default settin
g
commit
|
commitdiff
|
tree
2019-01-24
Paul
B
auer
Change gcov to run
o
n bs-mic
commit
|
commitdiff
|
tree
2019-01-23
Paul Bauer
Change
g
cov
t
o run on bs-
m
ic
commit
|
commitdiff
|
tree
2019-01-22
Paul
Bauer
P
r
epare for 2018
.
6
commit
|
commitdiff
|
tree
2019-01-22
Paul Bauer
V
e
r
s
i
on 2018
.
5
commit
|
commitdiff
|
tree
2019-01-16
Paul Bauer
Fix memory leak in so
l
vate
commit
|
commitdiff
|
tree
2019-01-07
Pau
l
Bauer
R
e
move DOI en
t
rie
s
when
not on
rel
e
a
se
patch
commit
|
commitdiff
|
tree
2018-12-31
Paul
B
auer
Prep
a
re for 2019
.
1
commit
|
commitdiff
|
tree
2018-12-31
Paul Bauer
GROMACS
2
019 releas
e
commit
|
commitdiff
|
tree
2018-12-31
Paul Bauer
Merge branch release
-
2018 into release-
2
019
commit
|
commitdiff
|
tree
2018-12-27
Pa
u
l Bauer
Documen
t
OpenCL timer issue
.
commit
|
commitdiff
|
tree
2018-12-22
Paul Bauer
Fix mdru
n
-
nb GPU on no
n
-gpu b
u
il
d
s
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
Add
matrix
e
n
t
ry to test external FFTW b
u
i
l
d
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
F
ix FFTW build
commit
|
commitdiff
|
tree
2018-12-17
P
a
u
l Bau
e
r
Copy parall
e
lisation info f
r
om ol
d
webpage
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
Merge branch rel
e
ase-2018 into
r
elease-
2
0
19
commit
|
commitdiff
|
tree
2018-12-14
Paul Bauer
G
R
OM
A
CS
2
019 Release candidate
commit
|
commitdiff
|
tree
2018-12-11
Paul Bauer
Properl
y
check for M
S
V
C
in buil
d
s
c
ript
commit
|
commitdiff
|
tree
2018-12-10
Paul Bauer
Disable gm
x
api by de
f
ault
commit
|
commitdiff
|
tree
2018-12-10
P
a
u
l Bau
e
r
M
a
ke
r
elease
n
o
tes html only
commit
|
commitdiff
|
tree
2018-12-10
Paul Bauer
Cha
n
g
e toctree de
p
th
i
n PDF manual
commit
|
commitdiff
|
tree
2018-12-03
P
a
ul Bauer
F
i
x
energ
y
hist
o
ry re
a
ding
commit
|
commitdiff
|
tree
2018-11-30
Paul Bauer
Recreate
f
lowc
h
art fi
g
ure
commit
|
commitdiff
|
tree
2018-11-29
Paul Bauer
More fixe
s
for I
m
a
geM
a
gick t
e
st
s
cript
commit
|
commitdiff
|
tree
2018-11-29
Paul Bau
e
r
Fi
x
e
nergy his
t
o
r
y
reading
commit
|
commitdiff
|
tree
2018-11-29
Paul Bauer
Make
I
magemagick availabil
i
ty more visible
commit
|
commitdiff
|
tree
2018-11-29
P
a
ul Bauer
Fix
r
e
fe
r
ence
m
anual image sizes
commit
|
commitdiff
|
tree
2018-11-29
Paul Ba
u
er
F
i
x refe
r
ence manual
d
oc build
commit
|
commitdiff
|
tree
2018-11-28
Paul Bauer
Fix
g
c
c-8 warn
i
ngs
commit
|
commitdiff
|
tree
2018-11-26
Paul Bauer
Fix newline printing in
-
v
outp
u
t
commit
|
commitdiff
|
tree
2018-11-22
Paul Bauer
Prepare for 2019 rele
a
se
c
a
n
didate
commit
|
commitdiff
|
tree
2018-11-22
Paul Baue
r
GROM
A
CS 2019 third beta release
commit
|
commitdiff
|
tree
2018-11-21
Paul Bauer
Merge branch r
e
lease-2018
i
n
t
o release-2
0
19
commit
|
commitdiff
|
tree
2018-11-15
Paul Bauer
R
e
fine FindSphinx
commit
|
commitdiff
|
tree
2018-11-15
Pa
u
l Bauer
Rework GMX
A
PI
te
s
ts
commit
|
commitdiff
|
tree
2018-11-12
Paul Bauer
Update to prepare for 2018
.
5 p
o
i
n
t r
e
lea
s
e
commit
|
commitdiff
|
tree
2018-11-12
Pa
u
l
B
aue
r
Versi
o
n 2018
.
4
commit
|
commitdiff
|
tree
2018-11-08
Paul
B
auer
G
i
ve error when rerun
w
ith i
d
entical file names
commit
|
commitdiff
|
tree
2018-11-08
Paul B
a
uer
Issue fatal error if
checkpoint doe
s
not suit the
.
tpr
commit
|
commitdiff
|
tree
2018-11-08
P
a
ul Bauer
A
c
tua
l
ly fi
x
g
m
x helix segmentation fa
u
l
t
commit
|
commitdiff
|
tree
2018-11-07
Pau
l
Bauer
Ma
r
k new cmake
variabl
e
s advan
c
ed
commit
|
commitdiff
|
tree
2018-11-07
Paul Bauer
Add gl
o
b
al
d
irectory for s
i
mula
t
io
n
test inputs
commit
|
commitdiff
|
tree
2018-11-06
Paul Bauer
F
ix wrong branch
f
or
regressi
o
n
t
ests
commit
|
commitdiff
|
tree
2018-11-06
Paul Bauer
Prepare for beta3
commit
|
commitdiff
|
tree
2018-11-06
Paul Bauer
G
R
OMACS 20
1
9 second
b
et
a
releas
e
commit
|
commitdiff
|
tree
2018-11-05
Paul Bauer
Fix non a
s
cii characters in manual referenc
e
s
commit
|
commitdiff
|
tree
2018-11-05
Paul Bau
e
r
Make QM
/
MM code
al
w
a
ys compile
commit
|
commitdiff
|
tree
2018-11-05
Paul Baue
r
Give more info when trying to build manua
l
commit
|
commitdiff
|
tree
2018-11-05
Paul Bauer
Fix formatting issue
commit
|
commitdiff
|
tree
2018-11-01
Pau
l
Bauer
Properly define Bromine
i
n amber forcefields
commit
|
commitdiff
|
tree
2018-10-31
Paul Bauer
Add equation nu
m
b
e
rs i
n
reference
m
anual
commit
|
commitdiff
|
tree
2018-10-30
Paul Bauer
Change Tab
l
e
of
cont
e
nts dept
h
commit
|
commitdiff
|
tree
2018-10-26
Paul Bauer
Fix link
formatting
i
n
de
v
eloper manual
commit
|
commitdiff
|
tree
2018-10-26
Paul Bauer
Upda
t
e user
d
ocum
e
n
tat
i
on o
v
erview
commit
|
commitdiff
|
tree
2018-10-25
P
aul
B
auer
Chang
e
d
oc bu
i
ld withou
t
image conversion
commit
|
commitdiff
|
tree
2018-10-24
Paul
B
auer
U
pdate QM gauss
i
an i
n
terface
commit
|
commitdiff
|
tree
2018-10-24
Paul Bauer
Fix MPI w/o M
P
I
_
I
N
_PLACE
commit
|
commitdiff
|
tree
2018-10-22
Pa
u
l Bauer
Prepar
e
for
beta 2
commit
|
commitdiff
|
tree
2018-10-22
Paul B
a
uer
GR
O
MACS 2019 first b
e
ta
r
e
l
e
ase
commit
|
commitdiff
|
tree
2018-10-18
Paul
B
a
uer
Remove
u
nused file
s
i
n
d
ocs/man
u
al
commit
|
commitdiff
|
tree
2018-10-18
Paul Bauer
Fix segmentation fault in gmx helix
commit
|
commitdiff
|
tree
2018-10-11
Paul Bauer
Ad
d
sho
r
t
security
notice
commit
|
commitdiff
|
tree
2018-10-10
Paul
B
a
uer
I
nclude
doi strings
f
r
o
m z
e
nodo during release
commit
|
commitdiff
|
tree
2018-10-10
Paul Bau
e
r
W
r
ong name for
r
eport-methods tool
commit
|
commitdiff
|
tree
2018-10-08
Paul Baue
r
W
orkaround for ICC
p
ostsubmit
b
ug
commit
|
commitdiff
|
tree
2018-10-03
Paul Ba
u
er
C
h
ange a
c
ceptable precis
i
o
n
in minimizer
te
s
t
commit
|
commitdiff
|
tree
2018-10-03
Pau
l
Bauer
Disable
GMXAPI when
only
building
m
drun
commit
|
commitdiff
|
tree
2018-10-02
Paul
B
aue
r
Fix include formatting in gmx
a
pi
commit
|
commitdiff
|
tree
2018-10-01
Paul Bau
e
r
Change get_a
t
om_ind
e
x t
o
retur
n
int
commit
|
commitdiff
|
tree
2018-09-27
Paul B
a
u
er
Add min
d
ist output file check
commit
|
commitdiff
|
tree
2018-09-20
Paul Bauer
Separ
a
te
m
ethods to create localtop an
d
t_to
p
o
l
ogy
commit
|
commitdiff
|
tree
2018-09-20
P
a
ul Bauer
A
lways use
m
top construct
o
r
commit
|
commitdiff
|
tree
2018-09-17
Pa
u
l Bauer
Properly
initial
i
ze
idef i
n
topo
l
ogies
commit
|
commitdiff
|
tree
2018-09-14
Paul
Bau
e
r
Remov
e
La
T
eX file w
r
iting from gmx c
h
eck
commit
|
commitdiff
|
tree
2018-09-14
Pa
u
l Bauer
Introduce gm
x
report-me
t
hods
commit
|
commitdiff
|
tree
next